CHEBI:209701 - Monarubin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Monarubin C
ChEBI ID CHEBI:209701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O5
Net Charge 0
Average Mass 362.466
Monoisotopic Mass 362.20932
InChI InChI=1S/C21H30O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,14,16-18,22H,4,6-7,9-12H2,1-3H3/b8-5+/t14-,16-,17?,18+,21-/m1/s1
InChIKey DRVNBKNSHCUXCR-FTHLBNGKSA-N
SMILES O=C1C2=C(C[C@@H](/C=C/C)OC2)C[C@H]3[C@]1(OC(=O)[C@@H]3C(O)CCCCC)C
Metabolite of Species Details
Monascus (NCBI:txid5097) See: PubMed
ChEBI Ontology
Outgoing Monarubin C (CHEBI:209701) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(3S,3aR,6S,9aR)-3-(1-hydroxyhexyl)-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,5,6,8-hexahydrouro[3,2-g]isochromene-2,9-dione
Manual Xref Database
81409475 ChemSpider
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